3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide

C10H16N4OS — CID 103381979

IUPAC3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide
SMILESCC1CC1CN(C)c1snc(N)c1C(N)=O
InChIInChI=1S/C10H16N4OS/c1-5-3-6(5)4-14(2)10-7(9(12)15)8(11)13-16-10/h5-6H,3-4H2,1-2H3,(H2,11,13)(H2,12,15)
InChIKeyGXDWNKUGZFZLHE-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.92
Rot. Bonds4

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

3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 103381979) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide
PubChem CID103381979
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide
SMILESCC1CC1CN(C)c1snc(N)c1C(N)=O
InChIInChI=1S/C10H16N4OS/c1-5-3-6(5)4-14(2)10-7(9(12)15)8(11)13-16-10/h5-6H,3-4H2,1-2H3,(H2,11,13)(H2,12,15)
InChIKeyGXDWNKUGZFZLHE-UHFFFAOYSA-N
XLogP0.92
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381988
3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 103381354
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103379639
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380792
3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103383507
ethyl 3-amino-5-[cyclohexylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103380786
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902
methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103381952
3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379626
3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103383325
3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide
CID 103384433
3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379754

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide (CID 103381979) is 3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide is CC1CC1CN(C)c1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is GXDWNKUGZFZLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-5-3-6(5)4-14(2)10-7(9(12)15)8(11)13-16-10/h5-6H,3-4H2,1-2H3,(H2,11,13)(H2,12,15).
What are the key properties of 3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide?
3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).