3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C10H17N5O3S — CID 106174673

IUPAC3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC(O)C(N)=O
InChIInChI=1S/C10H17N5O3S/c1-4(2)14-9(18)6-7(11)15-19-10(6)13-3-5(16)8(12)17/h4-5,13,16H,3H2,1-2H3,(H2,11,15)(H2,12,17)(H,14,18)
InChIKeyOIURUKAWOVSDCH-UHFFFAOYSA-N
MW287.35 g/mol
LogP-0.88
Rot. Bonds6

About 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 106174673) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID106174673
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC(O)C(N)=O
InChIInChI=1S/C10H17N5O3S/c1-4(2)14-9(18)6-7(11)15-19-10(6)13-3-5(16)8(12)17/h4-5,13,16H,3H2,1-2H3,(H2,11,15)(H2,12,17)(H,14,18)
InChIKeyOIURUKAWOVSDCH-UHFFFAOYSA-N
XLogP-0.88
TPSA143.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-0.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 106174673) is 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCC(O)C(N)=O.
What is the InChIKey of 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is OIURUKAWOVSDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-4(2)14-9(18)6-7(11)15-19-10(6)13-3-5(16)8(12)17/h4-5,13,16H,3H2,1-2H3,(H2,11,15)(H2,12,17)(H,14,18).
What are the key properties of 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 287.35 g/mol, XLogP of -0.88, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 106174673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).