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

C11H18N4O2S — CID 114107010

IUPAC3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC1CCOC1C
InChIInChI=1S/C11H18N4O2S/c1-6-7(3-4-17-6)5-14-11-8(10(16)13-2)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyLJVYYQZYJYVOGW-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.92
Rot. Bonds4

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

3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide (PubChem CID 114107010) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide
PubChem CID114107010
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC1CCOC1C
InChIInChI=1S/C11H18N4O2S/c1-6-7(3-4-17-6)5-14-11-8(10(16)13-2)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyLJVYYQZYJYVOGW-UHFFFAOYSA-N
XLogP0.92
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-5-[(3-hydroxycyclopentyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 114148740
3-amino-N-methyl-5-[2-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103378373
3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide
CID 114110163
3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103378938
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107421532
3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380642
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380656

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide (CID 114107010) is 3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCC1CCOC1C.
What is the InChIKey of 3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is LJVYYQZYJYVOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-6-7(3-4-17-6)5-14-11-8(10(16)13-2)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of 3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[(2-methyloxolan-3-yl)methylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 114107010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).