N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C14H18N4O2S — CID 167666334

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2cnc(NC(C)C)s2)ccc1=O
InChIInChI=1S/C14H18N4O2S/c1-4-18-8-10(5-6-12(18)19)17-13(20)11-7-15-14(21-11)16-9(2)3/h5-9H,4H2,1-3H3,(H,15,16)(H,17,20)
InChIKeySRUDERBZHGTGJV-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.40
Rot. Bonds5

About N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 167666334) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID167666334
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2cnc(NC(C)C)s2)ccc1=O
InChIInChI=1S/C14H18N4O2S/c1-4-18-8-10(5-6-12(18)19)17-13(20)11-7-15-14(21-11)16-9(2)3/h5-9H,4H2,1-3H3,(H,15,16)(H,17,20)
InChIKeySRUDERBZHGTGJV-UHFFFAOYSA-N
XLogP2.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 167666334) is N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CCn1cc(NC(=O)c2cnc(NC(C)C)s2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is SRUDERBZHGTGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-18-8-10(5-6-12(18)19)17-13(20)11-7-15-14(21-11)16-9(2)3/h5-9H,4H2,1-3H3,(H,15,16)(H,17,20).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167666334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).