2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide

C8H14N4OS — CID 66375745

IUPAC2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
SMILESNCCCNC(=O)c1csc(CN)n1
InChIInChI=1S/C8H14N4OS/c9-2-1-3-11-8(13)6-5-14-7(4-10)12-6/h5H,1-4,9-10H2,(H,11,13)
InChIKeyBYFDRKSAWBPOSP-UHFFFAOYSA-N
MW214.29 g/mol
LogP-0.32
Rot. Bonds5

About 2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide (PubChem CID 66375745) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
PubChem CID66375745
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
SMILESNCCCNC(=O)c1csc(CN)n1
InChIInChI=1S/C8H14N4OS/c9-2-1-3-11-8(13)6-5-14-7(4-10)12-6/h5H,1-4,9-10H2,(H,11,13)
InChIKeyBYFDRKSAWBPOSP-UHFFFAOYSA-N
XLogP-0.32
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide
CID 119867801
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
2-(aminomethyl)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 113265997
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(aminomethyl)-N-(5-phenylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119772378
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
2-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693263

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide (CID 66375745) is 2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide is NCCCNC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BYFDRKSAWBPOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c9-2-1-3-11-8(13)6-5-14-7(4-10)12-6/h5H,1-4,9-10H2,(H,11,13).
What are the key properties of 2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 214.29 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66375745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).