3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C13H22N4O2S — CID 103380335

IUPAC3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(C)CC1CCCO1
InChIInChI=1S/C13H22N4O2S/c1-8(2)15-12(18)10-11(14)16-20-13(10)17(3)7-9-5-4-6-19-9/h8-9H,4-7H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyXLKNCTYXOFHUQN-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.48
Rot. Bonds5

About 3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103380335) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103380335
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(C)CC1CCCO1
InChIInChI=1S/C13H22N4O2S/c1-8(2)15-12(18)10-11(14)16-20-13(10)17(3)7-9-5-4-6-19-9/h8-9H,4-7H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyXLKNCTYXOFHUQN-UHFFFAOYSA-N
XLogP1.48
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379754
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902
ethyl 3-amino-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379749
3-amino-5-[cyclopropyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381469
4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380334
3-amino-5-[methyl(propyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381563
3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
3-amino-N,N-dimethyl-5-[methyl(oxolan-2-ylmethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103361342
5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360754
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380792
3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380447
3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103382005

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103380335) is 3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1N(C)CC1CCCO1.
What is the InChIKey of 3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is XLKNCTYXOFHUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-8(2)15-12(18)10-11(14)16-20-13(10)17(3)7-9-5-4-6-19-9/h8-9H,4-7H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).