N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine

C17H19F3N8S — CID 130419638

IUPACN-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine
SMILESCc1nc(C(C)(C)c2nnn(C)n2)sc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C17H19F3N8S/c1-8-12(29-14(22-8)16(2,3)13-25-27-28(4)26-13)24-15-21-7-10(17(18,19)20)11(23-15)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,21,23,24)
InChIKeyYOFONWZKWINKQR-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.73
Rot. Bonds5

About N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine

N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine (PubChem CID 130419638) has the molecular formula C17H19F3N8S and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine
PubChem CID130419638
Molecular FormulaC17H19F3N8S
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC NameN-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine
SMILESCc1nc(C(C)(C)c2nnn(C)n2)sc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C17H19F3N8S/c1-8-12(29-14(22-8)16(2,3)13-25-27-28(4)26-13)24-15-21-7-10(17(18,19)20)11(23-15)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,21,23,24)
InChIKeyYOFONWZKWINKQR-UHFFFAOYSA-N
XLogP3.73
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 130419636
N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[1-(1H-1,2,4-triazol-5-yl)cyclopropyl]-1,3-thiazol-5-amine
CID 130419643
2-[5-[[4-Cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419722
N-(aminomethylidene)-N'-[2-[5-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]propan-2-yl]methanimidamide
CID 130419644
N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 138482887
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 147425979
4-methyl-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 158767139
N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(triazol-2-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 162218871
2-N-[1-cyclopropyl-3-[2-(1,3-thiazol-4-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 177950416
2-[4-Cyclopropyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 160888216
5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
CID 31125971

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine?
The IUPAC name of N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine (CID 130419638) is N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine?
The canonical SMILES for N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine is Cc1nc(C(C)(C)c2nnn(C)n2)sc1Nc1ncc(C(F)(F)F)c(C2CC2)n1.
What is the InChIKey of N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine?
The InChIKey is YOFONWZKWINKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N8S/c1-8-12(29-14(22-8)16(2,3)13-25-27-28(4)26-13)24-15-21-7-10(17(18,19)20)11(23-15)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,21,23,24).
What are the key properties of N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine?
N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine has a molecular weight of 424.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 130419638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).