3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide

C10H13N5OS2 — CID 114140207

IUPAC3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESCc1nc(CCNc2snc(N)c2C(N)=O)cs1
InChIInChI=1S/C10H13N5OS2/c1-5-14-6(4-17-5)2-3-13-10-7(9(12)16)8(11)15-18-10/h4,13H,2-3H2,1H3,(H2,11,15)(H2,12,16)
InChIKeyVHFKLTVGQJNQSO-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.24
Rot. Bonds5

About 3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide

3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide (PubChem CID 114140207) has the molecular formula C10H13N5OS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide
PubChem CID114140207
Molecular FormulaC10H13N5OS2
Molecular Weight283.38 g/mol
Exact Mass283.06
IUPAC Name3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESCc1nc(CCNc2snc(N)c2C(N)=O)cs1
InChIInChI=1S/C10H13N5OS2/c1-5-14-6(4-17-5)2-3-13-10-7(9(12)16)8(11)15-18-10/h4,13H,2-3H2,1H3,(H2,11,15)(H2,12,16)
InChIKeyVHFKLTVGQJNQSO-UHFFFAOYSA-N
XLogP1.24
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 106044505
5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
CID 106039404
2-amino-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 114139616
3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106035993
3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide
CID 114112760
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382889
ethyl 3-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 79363815
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106044576

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide (CID 114140207) is 3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide is Cc1nc(CCNc2snc(N)c2C(N)=O)cs1.
What is the InChIKey of 3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is VHFKLTVGQJNQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2/c1-5-14-6(4-17-5)2-3-13-10-7(9(12)16)8(11)15-18-10/h4,13H,2-3H2,1H3,(H2,11,15)(H2,12,16).
What are the key properties of 3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 114140207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).