N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide

C7H13N3O2S — CID 43553640

IUPACN-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)CCNC(=O)C1CSCN1
InChIInChI=1S/C7H13N3O2S/c8-6(11)1-2-9-7(12)5-3-13-4-10-5/h5,10H,1-4H2,(H2,8,11)(H,9,12)
InChIKeyHYTAHBFBKRTWJB-UHFFFAOYSA-N
MW203.27 g/mol
LogP-1.36
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide

N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43553640) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID43553640
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)CCNC(=O)C1CSCN1
InChIInChI=1S/C7H13N3O2S/c8-6(11)1-2-9-7(12)5-3-13-4-10-5/h5,10H,1-4H2,(H2,8,11)(H,9,12)
InChIKeyHYTAHBFBKRTWJB-UHFFFAOYSA-N
XLogP-1.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 93356367
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119293605
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 113264034
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-(4-cyclopentylbutyl)-1,3-thiazolidine-4-carboxamide
CID 119327705

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide (CID 43553640) is N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide is NC(=O)CCNC(=O)C1CSCN1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HYTAHBFBKRTWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-6(11)1-2-9-7(12)5-3-13-4-10-5/h5,10H,1-4H2,(H2,8,11)(H,9,12).
What are the key properties of N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide?
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 203.27 g/mol, XLogP of -1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43553640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).