N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine

C13H20N4S — CID 103573799

IUPACN-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2cnc(NCC(C)C)s2)cn1
InChIInChI=1S/C13H20N4S/c1-4-5-17-9-11(7-16-17)12-8-15-13(18-12)14-6-10(2)3/h7-10H,4-6H2,1-3H3,(H,14,15)
InChIKeySIUQKDHPXJDOCI-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.48
Rot. Bonds6

About N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine

N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 103573799) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID103573799
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2cnc(NCC(C)C)s2)cn1
InChIInChI=1S/C13H20N4S/c1-4-5-17-9-11(7-16-17)12-8-15-13(18-12)14-6-10(2)3/h7-10H,4-6H2,1-3H3,(H,14,15)
InChIKeySIUQKDHPXJDOCI-UHFFFAOYSA-N
XLogP3.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 116812361
5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812351
5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812281
4-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 104877313
1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 103572818
methyl 2-(1-propylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 103572384
N-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804964
5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812335
5-(4-methylcyclohexyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812288
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
4-butan-2-yl-1-propylpyrazole
CID 130194925
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 103573799) is N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine is CCCn1cc(-c2cnc(NCC(C)C)s2)cn1.
What is the InChIKey of N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is SIUQKDHPXJDOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-5-17-9-11(7-16-17)12-8-15-13(18-12)14-6-10(2)3/h7-10H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine?
N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 264.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 103573799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).