4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide

C14H20N4OS2 — CID 116665119

IUPAC4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2sc(NCC(C)C)nc2N)s1
InChIInChI=1S/C14H20N4OS2/c1-8(2)6-17-14-18-12(15)11(21-14)13(19)16-7-10-5-4-9(3)20-10/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyUXOSSDPVAJJGAZ-UHFFFAOYSA-N
MW324.48 g/mol
LogP3.09
Rot. Bonds6

About 4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide

4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116665119) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116665119
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2sc(NCC(C)C)nc2N)s1
InChIInChI=1S/C14H20N4OS2/c1-8(2)6-17-14-18-12(15)11(21-14)13(19)16-7-10-5-4-9(3)20-10/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyUXOSSDPVAJJGAZ-UHFFFAOYSA-N
XLogP3.09
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(tert-butylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665116
4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668712
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116664589
4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116663961
4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668462
4-amino-2-(2-methylpropylamino)-N-(3-methylsulfonylpropyl)-1,3-thiazole-5-carboxamide
CID 116664659
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116665523
4-amino-N-(cyclopentylmethyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669781
4-amino-2-(2-methylpropylamino)-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 116664857
4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665976
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 107855762

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 116665119) is 4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(CNC(=O)c2sc(NCC(C)C)nc2N)s1.
What is the InChIKey of 4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UXOSSDPVAJJGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-8(2)6-17-14-18-12(15)11(21-14)13(19)16-7-10-5-4-9(3)20-10/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 324.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).