(2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide

C14H22N4O2S — CID 129336360

IUPAC(2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide
SMILESCc1nc2c(s1)CCC[C@H]2CN(C)C(=O)[C@@H](C)NC(N)=O
InChIInChI=1S/C14H22N4O2S/c1-8(16-14(15)20)13(19)18(3)7-10-5-4-6-11-12(10)17-9(2)21-11/h8,10H,4-7H2,1-3H3,(H3,15,16,20)/t8-,10+/m1/s1
InChIKeyQOZWRNYSOUKWMF-SCZZXKLOSA-N
MW310.42 g/mol
LogP1.39
Rot. Bonds4

About (2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide

(2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide (PubChem CID 129336360) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide
PubChem CID129336360
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide
SMILESCc1nc2c(s1)CCC[C@H]2CN(C)C(=O)[C@@H](C)NC(N)=O
InChIInChI=1S/C14H22N4O2S/c1-8(16-14(15)20)13(19)18(3)7-10-5-4-6-11-12(10)17-9(2)21-11/h8,10H,4-7H2,1-3H3,(H3,15,16,20)/t8-,10+/m1/s1
InChIKeyQOZWRNYSOUKWMF-SCZZXKLOSA-N
XLogP1.39
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide (CID 129336360) is (2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide is Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)[C@@H](C)NC(N)=O.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide?
The InChIKey is QOZWRNYSOUKWMF-SCZZXKLOSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-8(16-14(15)20)13(19)18(3)7-10-5-4-6-11-12(10)17-9(2)21-11/h8,10H,4-7H2,1-3H3,(H3,15,16,20)/t8-,10+/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide?
(2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide has a molecular weight of 310.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 129336360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).