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

C11H20N4OS — CID 45031103

IUPAC4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NC(C)C)s1
InChIInChI=1S/C11H20N4OS/c1-5-15(6-2)11-14-9(12)8(17-11)10(16)13-7(3)4/h7H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyWVQDOHPEKNMVDJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.71
Rot. Bonds5

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

4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 45031103) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID45031103
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NC(C)C)s1
InChIInChI=1S/C11H20N4OS/c1-5-15(6-2)11-14-9(12)8(17-11)10(16)13-7(3)4/h7H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyWVQDOHPEKNMVDJ-UHFFFAOYSA-N
XLogP1.71
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 45031103) is 4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide is CCN(CC)c1nc(N)c(C(=O)NC(C)C)s1.
What is the InChIKey of 4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WVQDOHPEKNMVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-5-15(6-2)11-14-9(12)8(17-11)10(16)13-7(3)4/h7H,5-6,12H2,1-4H3,(H,13,16).
What are the key properties of 4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45031103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).