3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide

C13H22N4O2S — CID 103380642

IUPAC3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC1CCOCC1
InChIInChI=1S/C13H22N4O2S/c1-8(2)16-12(18)10-11(14)17-20-13(10)15-7-9-3-5-19-6-4-9/h8-9,15H,3-7H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyUMMJVAMXEAYJAL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.70
Rot. Bonds5

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

3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103380642) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103380642
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC1CCOCC1
InChIInChI=1S/C13H22N4O2S/c1-8(2)16-12(18)10-11(14)17-20-13(10)15-7-9-3-5-19-6-4-9/h8-9,15H,3-7H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyUMMJVAMXEAYJAL-UHFFFAOYSA-N
XLogP1.70
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(oxan-3-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378285
3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379241
3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107421532
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383675
3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106103737
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383143
3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106174673

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103380642) is 3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCC1CCOCC1.
What is the InChIKey of 3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is UMMJVAMXEAYJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-8(2)16-12(18)10-11(14)17-20-13(10)15-7-9-3-5-19-6-4-9/h8-9,15H,3-7H2,1-2H3,(H2,14,17)(H,16,18).
What are the key properties of 3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).