3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C13H17ClN4OS2 — CID 106044587

IUPAC3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCCc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN4OS2/c1-7(2)17-12(19)10-11(15)18-21-13(10)16-6-5-8-3-4-9(14)20-8/h3-4,7,16H,5-6H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyWNRXDDNRPISKLF-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.23
Rot. Bonds6

About 3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 106044587) has the molecular formula C13H17ClN4OS2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID106044587
Molecular FormulaC13H17ClN4OS2
Molecular Weight344.89 g/mol
Exact Mass344.05
IUPAC Name3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCCc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN4OS2/c1-7(2)17-12(19)10-11(15)18-21-13(10)16-6-5-8-3-4-9(14)20-8/h3-4,7,16H,5-6H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyWNRXDDNRPISKLF-UHFFFAOYSA-N
XLogP3.23
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383143
3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107324527
3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103378645
3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380008
3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide
CID 106015602
3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106174673
3-amino-5-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378658
3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103382606
3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383654
3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380642
3-amino-5-[(2-ethoxy-2-methylpropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384833
3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 106044587) is 3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCCc1ccc(Cl)s1.
What is the InChIKey of 3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is WNRXDDNRPISKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4OS2/c1-7(2)17-12(19)10-11(15)18-21-13(10)16-6-5-8-3-4-9(14)20-8/h3-4,7,16H,5-6H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of 3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 344.89 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(5-chlorothiophen-2-yl)ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 106044587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).