3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide

C10H16N4OS — CID 103381988

IUPAC3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCN(CC1CC1)c1snc(N)c1C(N)=O
InChIInChI=1S/C10H16N4OS/c1-2-14(5-6-3-4-6)10-7(9(12)15)8(11)13-16-10/h6H,2-5H2,1H3,(H2,11,13)(H2,12,15)
InChIKeyRRJJLKLTPZJWSE-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.06
Rot. Bonds5

About 3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide

3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103381988) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103381988
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCN(CC1CC1)c1snc(N)c1C(N)=O
InChIInChI=1S/C10H16N4OS/c1-2-14(5-6-3-4-6)10-7(9(12)15)8(11)13-16-10/h6H,2-5H2,1H3,(H2,11,13)(H2,12,15)
InChIKeyRRJJLKLTPZJWSE-UHFFFAOYSA-N
XLogP1.06
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379626
5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103349436
5-N-(cyclobutylmethyl)-5-N-ethyl-4-methyl-1,2-thiazole-3,5-diamine
CID 107403290
3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
CID 103422477
3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103381979
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103379639
ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103380752
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate
CID 103422466
methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103382089
3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
CID 103384359
5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103382051

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide (CID 103381988) is 3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide is CCN(CC1CC1)c1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is RRJJLKLTPZJWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-14(5-6-3-4-6)10-7(9(12)15)8(11)13-16-10/h6H,2-5H2,1H3,(H2,11,13)(H2,12,15).
What are the key properties of 3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).