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

C11H14N4S — CID 63986832

IUPACN-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc(-c2ccncn2)n1
InChIInChI=1S/C11H14N4S/c1-8(2)13-5-9-6-16-11(15-9)10-3-4-12-7-14-10/h3-4,6-8,13H,5H2,1-2H3
InChIKeyDYUKXHVIXNHUFT-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.10
Rot. Bonds4

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

N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 63986832) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID63986832
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc(-c2ccncn2)n1
InChIInChI=1S/C11H14N4S/c1-8(2)13-5-9-6-16-11(15-9)10-3-4-12-7-14-10/h3-4,6-8,13H,5H2,1-2H3
InChIKeyDYUKXHVIXNHUFT-UHFFFAOYSA-N
XLogP2.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-Thiazol-2-yl)pyrimidin-2-amine
CID 4131872
4-(aminomethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49778112
4-(1-amino-3-methylbutyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49786650
4-(1-aminoethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49791397
N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864914
Ethanamine, N,N-dimethyl-2-((4-(2-thiazolyl)-2-pyrimidinyl)thio)-
CID 452514
1,2-Ethanediamine, N,N-dimethyl-N'-(4-(2-thiazolyl)-2-pyrimidinyl)-
CID 452515
2-Amino-6-(thiazol-2-yl)-4-(trifluoromethyl)pyrimidine
CID 2823377
4-Methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
1-[(4-Methyl-1,3-thiazol-2-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45827576
1-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45827799
1-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 45831052

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 63986832) is N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine is CC(C)NCc1csc(-c2ccncn2)n1.
What is the InChIKey of N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is DYUKXHVIXNHUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8(2)13-5-9-6-16-11(15-9)10-3-4-12-7-14-10/h3-4,6-8,13H,5H2,1-2H3.
What are the key properties of N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 63986832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).