3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide

C12H20N4O2S — CID 103384359

IUPAC3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCN(CCCO)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H20N4O2S/c1-2-16(6-3-7-17)12-9(10(13)15-19-12)11(18)14-8-4-5-8/h8,17H,2-7H2,1H3,(H2,13,15)(H,14,18)
InChIKeyKJISHRMQMLUGPL-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.83
Rot. Bonds7

About 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103384359) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103384359
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCN(CCCO)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H20N4O2S/c1-2-16(6-3-7-17)12-9(10(13)15-19-12)11(18)14-8-4-5-8/h8,17H,2-7H2,1H3,(H2,13,15)(H,14,18)
InChIKeyKJISHRMQMLUGPL-UHFFFAOYSA-N
XLogP0.83
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 114231035
3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381914
3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381391
3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379626
3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381201
3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
CID 103379369
3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380467
3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381988
3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
CID 114267278
3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379718
3-amino-N-cyclopropyl-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379419

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide (CID 103384359) is 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide is CCN(CCCO)c1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is KJISHRMQMLUGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-16(6-3-7-17)12-9(10(13)15-19-12)11(18)14-8-4-5-8/h8,17H,2-7H2,1H3,(H2,13,15)(H,14,18).
What are the key properties of 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103384359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).