2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide

C9H15N3OS — CID 117086474

IUPAC2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCC)s1
InChIInChI=1S/C9H15N3OS/c1-3-5-11-8(13)7-6-12-9(14-7)10-4-2/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyHVUZMVHPPLZIQM-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.71
Rot. Bonds5

About 2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide

2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 117086474) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID117086474
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCC)s1
InChIInChI=1S/C9H15N3OS/c1-3-5-11-8(13)7-6-12-9(14-7)10-4-2/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyHVUZMVHPPLZIQM-UHFFFAOYSA-N
XLogP1.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide (CID 117086474) is 2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(NCC)s1.
What is the InChIKey of 2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is HVUZMVHPPLZIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-5-11-8(13)7-6-12-9(14-7)10-4-2/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117086474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).