2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

C15H18N4OS — CID 122558387

IUPAC2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCc1nc(CCNC(=O)c2cnc(C3CC3)nc2)cs1
InChIInChI=1S/C15H18N4OS/c1-2-13-19-12(9-21-13)5-6-16-15(20)11-7-17-14(18-8-11)10-3-4-10/h7-10H,2-6H2,1H3,(H,16,20)
InChIKeyWAJTYVMZJVBYGL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.35
Rot. Bonds6

About 2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 122558387) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID122558387
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCc1nc(CCNC(=O)c2cnc(C3CC3)nc2)cs1
InChIInChI=1S/C15H18N4OS/c1-2-13-19-12(9-21-13)5-6-16-15(20)11-7-17-14(18-8-11)10-3-4-10/h7-10H,2-6H2,1H3,(H,16,20)
InChIKeyWAJTYVMZJVBYGL-UHFFFAOYSA-N
XLogP2.35
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 122567185
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119869551
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119869550
1-cyclopentyl-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylguanidine
CID 110990983
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119869571
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119869509
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 91838163
1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70772226
4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 122558978
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110398339
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115882093

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (CID 122558387) is 2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is CCc1nc(CCNC(=O)c2cnc(C3CC3)nc2)cs1.
What is the InChIKey of 2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is WAJTYVMZJVBYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-13-19-12(9-21-13)5-6-16-15(20)11-7-17-14(18-8-11)10-3-4-10/h7-10H,2-6H2,1H3,(H,16,20).
What are the key properties of 2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 122558387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).