N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine

C16H29N3S — CID 79392932

IUPACN-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC(C)C)C2CC2)nc1C(C)C
InChIInChI=1S/C16H29N3S/c1-6-17-9-14-15(12(4)5)18-16(20-14)19(10-11(2)3)13-7-8-13/h11-13,17H,6-10H2,1-5H3
InChIKeyOWPKRHDPPNFERE-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.00
Rot. Bonds8

About N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine

N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79392932) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79392932
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC(C)C)C2CC2)nc1C(C)C
InChIInChI=1S/C16H29N3S/c1-6-17-9-14-15(12(4)5)18-16(20-14)19(10-11(2)3)13-7-8-13/h11-13,17H,6-10H2,1-5H3
InChIKeyOWPKRHDPPNFERE-UHFFFAOYSA-N
XLogP4.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 78917407
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
CID 62768050
5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392937
N-cyclopropyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393524
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396441
5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine
CID 79395615
[2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392778
N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395051
N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114364953
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587
N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114016605

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 79392932) is N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine is CCNCc1sc(N(CC(C)C)C2CC2)nc1C(C)C.
What is the InChIKey of N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is OWPKRHDPPNFERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-17-9-14-15(12(4)5)18-16(20-14)19(10-11(2)3)13-7-8-13/h11-13,17H,6-10H2,1-5H3.
What are the key properties of N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine?
N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79392932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).