4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

C10H10ClN5OS — CID 47369952

IUPAC4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCNc1ncccn1)c1scnc1Cl
InChIInChI=1S/C10H10ClN5OS/c11-8-7(18-6-16-8)9(17)12-4-5-15-10-13-2-1-3-14-10/h1-3,6H,4-5H2,(H,12,17)(H,13,14,15)
InChIKeyPWDNYMFAFSOYQH-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.43
Rot. Bonds5

About 4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47369952) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47369952
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC Name4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCNc1ncccn1)c1scnc1Cl
InChIInChI=1S/C10H10ClN5OS/c11-8-7(18-6-16-8)9(17)12-4-5-15-10-13-2-1-3-14-10/h1-3,6H,4-5H2,(H,12,17)(H,13,14,15)
InChIKeyPWDNYMFAFSOYQH-UHFFFAOYSA-N
XLogP1.43
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 45822006
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
4-chloro-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47374033
2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47886341
3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 48504780
2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53547436
2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47427175
N-cyclopropyl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117084678
N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120411135
N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 120411136
N-(4-amino-1,1,1-trifluorobutan-2-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 167938587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 47369952) is 4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is O=C(NCCNc1ncccn1)c1scnc1Cl.
What is the InChIKey of 4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PWDNYMFAFSOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c11-8-7(18-6-16-8)9(17)12-4-5-15-10-13-2-1-3-14-10/h1-3,6H,4-5H2,(H,12,17)(H,13,14,15).
What are the key properties of 4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 283.74 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47369952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).