1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine

C12H16N2S2 — CID 116884665

IUPAC1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1ccsc1-c1nc(C)c(CC(C)N)s1
InChIInChI=1S/C12H16N2S2/c1-7-4-5-15-11(7)12-14-9(3)10(16-12)6-8(2)13/h4-5,8H,6,13H2,1-3H3
InChIKeyWJINZFBFAMBDRQ-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.38
Rot. Bonds3

About 1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine

1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 116884665) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID116884665
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1ccsc1-c1nc(C)c(CC(C)N)s1
InChIInChI=1S/C12H16N2S2/c1-7-4-5-15-11(7)12-14-9(3)10(16-12)6-8(2)13/h4-5,8H,6,13H2,1-3H3
InChIKeyWJINZFBFAMBDRQ-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884656
N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine
CID 116885891
4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol
CID 116885996
2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884531
4-methyl-2-(3-methylthiophen-2-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 116887494
4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine
CID 116884857
2,6-bis(3-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 146695728
[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61282401
4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
CID 70910859
1-butan-2-yl-3-(3-methylthiophen-2-yl)pyrazol-4-amine
CID 83217737
N-methyl-1-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61280489
(2S)-1-(3-ethylthiophen-2-yl)propan-2-amine
CID 96850699

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine (CID 116884665) is 1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine is Cc1ccsc1-c1nc(C)c(CC(C)N)s1.
What is the InChIKey of 1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is WJINZFBFAMBDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-7-4-5-15-11(7)12-14-9(3)10(16-12)6-8(2)13/h4-5,8H,6,13H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 116884665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).