4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

C11H13N5OS — CID 47284373

IUPAC4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCNc1ncccn1
InChIInChI=1S/C11H13N5OS/c1-8-9(18-7-16-8)10(17)12-5-6-15-11-13-3-2-4-14-11/h2-4,7H,5-6H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyPWYJPBWLKLQZOJ-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.08
Rot. Bonds5

About 4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47284373) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47284373
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCNc1ncccn1
InChIInChI=1S/C11H13N5OS/c1-8-9(18-7-16-8)10(17)12-5-6-15-11-13-3-2-4-14-11/h2-4,7H,5-6H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyPWYJPBWLKLQZOJ-UHFFFAOYSA-N
XLogP1.08
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-Aminopyrimidin-4-yl)-4-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 90643549
4-methyl-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 45823143
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide
CID 45832120
N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 47053761
2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47211459
4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47283805
4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47369952
2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47886341
2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49028095
2-ethyl-4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49385088
2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49385475
2-(2-(pyrimidin-2-ylamino)thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 49677921

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 47284373) is 4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCCNc1ncccn1.
What is the InChIKey of 4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PWYJPBWLKLQZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-8-9(18-7-16-8)10(17)12-5-6-15-11-13-3-2-4-14-11/h2-4,7H,5-6H2,1H3,(H,12,17)(H,13,14,15).
What are the key properties of 4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47284373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).