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

C12H15N5OS — CID 47211459

IUPAC2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCNc2ncccn2)s1
InChIInChI=1S/C12H15N5OS/c1-8-10(19-9(2)17-8)11(18)13-6-7-16-12-14-4-3-5-15-12/h3-5H,6-7H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyNVAFQUCBFQJPHX-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.39
Rot. Bonds5

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

2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47211459) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47211459
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCNc2ncccn2)s1
InChIInChI=1S/C12H15N5OS/c1-8-10(19-9(2)17-8)11(18)13-6-7-16-12-14-4-3-5-15-12/h3-5H,6-7H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyNVAFQUCBFQJPHX-UHFFFAOYSA-N
XLogP1.39
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.39
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
N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 47053761
N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47188444
4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47283805
4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47284373
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
4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 51081167

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 47211459) is 2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCNc2ncccn2)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NVAFQUCBFQJPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8-10(19-9(2)17-8)11(18)13-6-7-16-12-14-4-3-5-15-12/h3-5H,6-7H2,1-2H3,(H,13,18)(H,14,15,16).
What are the key properties of 2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47211459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).