(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C7H12N2S — CID 42078005

IUPAC(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCC[C@H](N)c1nc(C)cs1
InChIInChI=1S/C7H12N2S/c1-3-6(8)7-9-5(2)4-10-7/h4,6H,3,8H2,1-2H3/t6-/m0/s1
InChIKeyBTVXNMJCZCLBTP-LURJTMIESA-N
MW156.25 g/mol
LogP1.86
Rot. Bonds2

About (1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 42078005) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is (1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID42078005
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCC[C@H](N)c1nc(C)cs1
InChIInChI=1S/C7H12N2S/c1-3-6(8)7-9-5(2)4-10-7/h4,6H,3,8H2,1-2H3/t6-/m0/s1
InChIKeyBTVXNMJCZCLBTP-LURJTMIESA-N
XLogP1.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 61333036
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 104941052
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 104770778
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 61339170
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
3-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 63196473
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 42078005) is (1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is CC[C@H](N)c1nc(C)cs1.
What is the InChIKey of (1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is BTVXNMJCZCLBTP-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-6(8)7-9-5(2)4-10-7/h4,6H,3,8H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 156.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 42078005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).