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

C14H19N5OS — CID 51081167

IUPAC4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCNc1ncccn1
InChIInChI=1S/C14H19N5OS/c1-9(2)13-19-10(3)11(21-13)12(20)15-7-8-18-14-16-5-4-6-17-14/h4-6,9H,7-8H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyQUFADEKRWWAJSX-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.21
Rot. Bonds6

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

4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 51081167) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID51081167
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCNc1ncccn1
InChIInChI=1S/C14H19N5OS/c1-9(2)13-19-10(3)11(21-13)12(20)15-7-8-18-14-16-5-4-6-17-14/h4-6,9H,7-8H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyQUFADEKRWWAJSX-UHFFFAOYSA-N
XLogP2.21
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 51081167) is 4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NCCNc1ncccn1.
What is the InChIKey of 4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QUFADEKRWWAJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-9(2)13-19-10(3)11(21-13)12(20)15-7-8-18-14-16-5-4-6-17-14/h4-6,9H,7-8H2,1-3H3,(H,15,20)(H,16,17,18).
What are the key properties of 4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51081167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).