N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

C9H9N5OS — CID 56649217

IUPACN-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESNCc1csc(NC(=O)c2ncccn2)n1
InChIInChI=1S/C9H9N5OS/c10-4-6-5-16-9(13-6)14-8(15)7-11-2-1-3-12-7/h1-3,5H,4,10H2,(H,13,14,15)
InChIKeyRNIDYCXJFIQTPA-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.64
Rot. Bonds3

About N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (PubChem CID 56649217) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
PubChem CID56649217
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESNCc1csc(NC(=O)c2ncccn2)n1
InChIInChI=1S/C9H9N5OS/c10-4-6-5-16-9(13-6)14-8(15)7-11-2-1-3-12-7/h1-3,5H,4,10H2,(H,13,14,15)
InChIKeyRNIDYCXJFIQTPA-UHFFFAOYSA-N
XLogP0.64
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(2-((4,5-dimethylthiazol-2-yl)amino)-2-oxoethyl)thiazol-2-yl)pyrimidine-2-carboxamide
CID 52904139
4-(aminomethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49778112
4-(1-aminoethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49791397
2-Methyl-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 56814818
US10894788, Example 94
CID 150373787
2-(Pyrimidin-2-yl)-1,3-thiazole-4-carbaldehyde
CID 45791697
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 45810875
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide
CID 45832120
1-[4-[(2-Pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 45833522
N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 47053761
2-[Propan-2-yl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 53525087
N-pyrimidin-2-yl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 53558195

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (CID 56649217) is N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is NCc1csc(NC(=O)c2ncccn2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The InChIKey is RNIDYCXJFIQTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c10-4-6-5-16-9(13-6)14-8(15)7-11-2-1-3-12-7/h1-3,5H,4,10H2,(H,13,14,15).
What are the key properties of N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 56649217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).