(2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide

C14H22N4O2S — CID 143406193

IUPAC(2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide
SMILESC[C@H](NC[C@H](Cc1cscn1)NC=O)C(=O)NCC1CC1
InChIInChI=1S/C14H22N4O2S/c1-10(14(20)16-5-11-2-3-11)15-6-12(17-8-19)4-13-7-21-9-18-13/h7-12,15H,2-6H2,1H3,(H,16,20)(H,17,19)/t10-,12-/m0/s1
InChIKeyIPICIWDOAKLYDT-JQWIXIFHSA-N
MW310.42 g/mol
LogP0.30
Rot. Bonds10

About (2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide

(2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide (PubChem CID 143406193) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide
PubChem CID143406193
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide
SMILESC[C@H](NC[C@H](Cc1cscn1)NC=O)C(=O)NCC1CC1
InChIInChI=1S/C14H22N4O2S/c1-10(14(20)16-5-11-2-3-11)15-6-12(17-8-19)4-13-7-21-9-18-13/h7-12,15H,2-6H2,1H3,(H,16,20)(H,17,19)/t10-,12-/m0/s1
InChIKeyIPICIWDOAKLYDT-JQWIXIFHSA-N
XLogP0.30
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide (CID 143406193) is (2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide is C[C@H](NC[C@H](Cc1cscn1)NC=O)C(=O)NCC1CC1.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide?
The InChIKey is IPICIWDOAKLYDT-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10(14(20)16-5-11-2-3-11)15-6-12(17-8-19)4-13-7-21-9-18-13/h7-12,15H,2-6H2,1H3,(H,16,20)(H,17,19)/t10-,12-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide?
(2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide has a molecular weight of 310.42 g/mol, XLogP of 0.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide is sourced from PubChem (CID 143406193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).