N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine

C12H15N3S — CID 115589690

IUPACN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCC(C)c1nc(CNc2ccccn2)cs1
InChIInChI=1S/C12H15N3S/c1-9(2)12-15-10(8-16-12)7-14-11-5-3-4-6-13-11/h3-6,8-9H,7H2,1-2H3,(H,13,14)
InChIKeyMHNOWSJYWYLQRK-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.27
Rot. Bonds4

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

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (PubChem CID 115589690) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
PubChem CID115589690
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCC(C)c1nc(CNc2ccccn2)cs1
InChIInChI=1S/C12H15N3S/c1-9(2)12-15-10(8-16-12)7-14-11-5-3-4-6-13-11/h3-6,8-9H,7H2,1-2H3,(H,13,14)
InChIKeyMHNOWSJYWYLQRK-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436912
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride
CID 115589570
3,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 115589645
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
1-ethyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111547376
(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111449969
1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 87038246
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
CID 115717931
2-(2-methoxyphenoxy)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728083
N-(1,1-diphenylethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 56522612
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (CID 115589690) is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is CC(C)c1nc(CNc2ccccn2)cs1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is MHNOWSJYWYLQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9(2)12-15-10(8-16-12)7-14-11-5-3-4-6-13-11/h3-6,8-9H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 115589690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).