4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C12H20N4O2S — CID 116672047

IUPAC4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC2CCOC2C)s1
InChIInChI=1S/C12H20N4O2S/c1-6(2)14-12-16-10(13)9(19-12)11(17)15-8-4-5-18-7(8)3/h6-8H,4-5,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyATFGBBHPJFZNSQ-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.45
Rot. Bonds4

About 4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116672047) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116672047
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC2CCOC2C)s1
InChIInChI=1S/C12H20N4O2S/c1-6(2)14-12-16-10(13)9(19-12)11(17)15-8-4-5-18-7(8)3/h6-8H,4-5,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyATFGBBHPJFZNSQ-UHFFFAOYSA-N
XLogP1.45
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663074
4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116672052
4-amino-N-(4,4-dimethylcyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666865
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 116667556
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 116667814
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663067
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504884

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116672047) is 4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NC2CCOC2C)s1.
What is the InChIKey of 4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ATFGBBHPJFZNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-6(2)14-12-16-10(13)9(19-12)11(17)15-8-4-5-18-7(8)3/h6-8H,4-5,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 284.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).