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

C15H21N5OS — CID 118793336

IUPAC2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCc2nc(C(C)C)cs2)cn1
InChIInChI=1S/C15H21N5OS/c1-4-16-15-18-7-11(8-19-15)14(21)17-6-5-13-20-12(9-22-13)10(2)3/h7-10H,4-6H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyVFDBOHGFAYFCSP-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.46
Rot. Bonds7

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

2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 118793336) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID118793336
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCc2nc(C(C)C)cs2)cn1
InChIInChI=1S/C15H21N5OS/c1-4-16-15-18-7-11(8-19-15)14(21)17-6-5-13-20-12(9-22-13)10(2)3/h7-10H,4-6H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyVFDBOHGFAYFCSP-UHFFFAOYSA-N
XLogP2.46
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-thiazol-4-yl)pyrimidine-5-carboxamide
CID 137644853
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-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 56744913
[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 56802180
2-(dimethylamino)-4-methyl-N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72840148
2-(ethylamino)-N-{[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]methyl}-5-pyrimidinecarboxamide
CID 72892964

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide (CID 118793336) is 2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCCc2nc(C(C)C)cs2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is VFDBOHGFAYFCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-4-16-15-18-7-11(8-19-15)14(21)17-6-5-13-20-12(9-22-13)10(2)3/h7-10H,4-6H2,1-3H3,(H,17,21)(H,16,18,19).
What are the key properties of 2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 118793336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).