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

C12H20N4OS — CID 103814336

IUPAC2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CCNC(=O)c1csc(CN)n1)C1CC1
InChIInChI=1S/C12H20N4OS/c1-2-16(9-3-4-9)6-5-14-12(17)10-8-18-11(7-13)15-10/h8-9H,2-7,13H2,1H3,(H,14,17)
InChIKeyCENNFHRDHZJAFZ-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.82
Rot. Bonds7

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

2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 103814336) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID103814336
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CCNC(=O)c1csc(CN)n1)C1CC1
InChIInChI=1S/C12H20N4OS/c1-2-16(9-3-4-9)6-5-14-12(17)10-8-18-11(7-13)15-10/h8-9H,2-7,13H2,1H3,(H,14,17)
InChIKeyCENNFHRDHZJAFZ-UHFFFAOYSA-N
XLogP0.82
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]pyrazine-2-carboxamide
CID 114134895
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 103814423
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
6-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]pyridine-2-carboxamide
CID 113304896
2-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66376261
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[3-(N-ethylanilino)propyl]-1,3-thiazole-4-carboxamide
CID 119835722
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
2-(aminomethyl)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 113265997
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide (CID 103814336) is 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide is CCN(CCNC(=O)c1csc(CN)n1)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CENNFHRDHZJAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-16(9-3-4-9)6-5-14-12(17)10-8-18-11(7-13)15-10/h8-9H,2-7,13H2,1H3,(H,14,17).
What are the key properties of 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103814336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).