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

C14H19N5OS2 — CID 72931734

IUPAC2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCc2csc(CSC)n2)cn1
InChIInChI=1S/C14H19N5OS2/c1-3-15-14-17-6-10(7-18-14)13(20)16-5-4-11-8-22-12(19-11)9-21-2/h6-8H,3-5,9H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeySIFCYQKFNXMJAN-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.20
Rot. Bonds8

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

2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide (PubChem CID 72931734) has the molecular formula C14H19N5OS2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide
PubChem CID72931734
Molecular FormulaC14H19N5OS2
Molecular Weight337.47 g/mol
Exact Mass337.10
IUPAC Name2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCc2csc(CSC)n2)cn1
InChIInChI=1S/C14H19N5OS2/c1-3-15-14-17-6-10(7-18-14)13(20)16-5-4-11-8-22-12(19-11)9-21-2/h6-8H,3-5,9H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeySIFCYQKFNXMJAN-UHFFFAOYSA-N
XLogP2.20
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-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
2-(2-(pyrimidin-2-ylamino)thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 49677921
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-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide (CID 72931734) is 2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCCc2csc(CSC)n2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide?
The InChIKey is SIFCYQKFNXMJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS2/c1-3-15-14-17-6-10(7-18-14)13(20)16-5-4-11-8-22-12(19-11)9-21-2/h6-8H,3-5,9H2,1-2H3,(H,16,20)(H,15,17,18).
What are the key properties of 2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72931734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).