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

C12H15N5OS — CID 56744913

IUPAC2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2csc(C)n2)cn1
InChIInChI=1S/C12H15N5OS/c1-3-13-12-15-4-9(5-16-12)11(18)14-6-10-7-19-8(2)17-10/h4-5,7H,3,6H2,1-2H3,(H,14,18)(H,13,15,16)
InChIKeyBEBDSGINZVTKQD-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.60
Rot. Bonds5

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

2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 56744913) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
PubChem CID56744913
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2csc(C)n2)cn1
InChIInChI=1S/C12H15N5OS/c1-3-13-12-15-4-9(5-16-12)11(18)14-6-10-7-19-8(2)17-10/h4-5,7H,3,6H2,1-2H3,(H,14,18)(H,13,15,16)
InChIKeyBEBDSGINZVTKQD-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-thiazol-4-yl)pyrimidine-5-carboxamide
CID 137644853
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide
CID 45832120
2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47211459
4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47284373
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-(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
4-methyl-2-propyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53501016
2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53547436
[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 56802180
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 56815620

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide (CID 56744913) is 2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCc2csc(C)n2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is BEBDSGINZVTKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-3-13-12-15-4-9(5-16-12)11(18)14-6-10-7-19-8(2)17-10/h4-5,7H,3,6H2,1-2H3,(H,14,18)(H,13,15,16).
What are the key properties of 2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 56744913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).