2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide

C17H24N6OS — CID 56896815

IUPAC2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NCCc2cc(N3CCCC3)ncn2)s1
InChIInChI=1S/C17H24N6OS/c1-3-18-17-22-12(2)15(25-17)16(24)19-7-6-13-10-14(21-11-20-13)23-8-4-5-9-23/h10-11H,3-9H2,1-2H3,(H,18,22)(H,19,24)
InChIKeyMVEPMQUTFBSWKD-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.25
Rot. Bonds7

About 2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide

2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 56896815) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID56896815
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NCCc2cc(N3CCCC3)ncn2)s1
InChIInChI=1S/C17H24N6OS/c1-3-18-17-22-12(2)15(25-17)16(24)19-7-6-13-10-14(21-11-20-13)23-8-4-5-9-23/h10-11H,3-9H2,1-2H3,(H,18,22)(H,19,24)
InChIKeyMVEPMQUTFBSWKD-UHFFFAOYSA-N
XLogP2.25
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide
CID 131933167
4-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122327670
2-(ethylamino)-4-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 71852564
2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 56700108
2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 71799988
4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669038
2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide
CID 118794593
4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665964
4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122326307
2,4-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91966531
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387103
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55847000

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 56896815) is 2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)NCCc2cc(N3CCCC3)ncn2)s1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MVEPMQUTFBSWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-3-18-17-22-12(2)15(25-17)16(24)19-7-6-13-10-14(21-11-20-13)23-8-4-5-9-23/h10-11H,3-9H2,1-2H3,(H,18,22)(H,19,24).
What are the key properties of 2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56896815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).