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

C13H19N5OS2 — CID 116665976

IUPAC4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)NCCc2nccs2)s1
InChIInChI=1S/C13H19N5OS2/c1-8(2)7-17-13-18-11(14)10(21-13)12(19)16-4-3-9-15-5-6-20-9/h5-6,8H,3-4,7,14H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMQRVOPSYWFEKDU-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.22
Rot. Bonds7

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

4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116665976) has the molecular formula C13H19N5OS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID116665976
Molecular FormulaC13H19N5OS2
Molecular Weight325.46 g/mol
Exact Mass325.10
IUPAC Name4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)NCCc2nccs2)s1
InChIInChI=1S/C13H19N5OS2/c1-8(2)7-17-13-18-11(14)10(21-13)12(19)16-4-3-9-15-5-6-20-9/h5-6,8H,3-4,7,14H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMQRVOPSYWFEKDU-UHFFFAOYSA-N
XLogP2.22
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(2-methylpropylamino)-N-(3-methylsulfonylpropyl)-1,3-thiazole-5-carboxamide
CID 116664659
4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665964
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116665523
4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668712
4-amino-2-(2-methylpropylamino)-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 116664857
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116664589
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665119
4-amino-N-(cyclopentylmethyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669781
4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106044271

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 116665976) is 4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is CC(C)CNc1nc(N)c(C(=O)NCCc2nccs2)s1.
What is the InChIKey of 4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MQRVOPSYWFEKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS2/c1-8(2)7-17-13-18-11(14)10(21-13)12(19)16-4-3-9-15-5-6-20-9/h5-6,8H,3-4,7,14H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).