(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol

C14H19N3OS — CID 97256570

IUPAC(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
SMILESCc1nnc(CN(C)[C@@H](CCO)c2ccccc2)s1
InChIInChI=1S/C14H19N3OS/c1-11-15-16-14(19-11)10-17(2)13(8-9-18)12-6-4-3-5-7-12/h3-7,13,18H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyBOPAOMXHCXGZIB-ZDUSSCGKSA-N
MW277.39 g/mol
LogP2.40
Rot. Bonds6

About (3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol

(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol (PubChem CID 97256570) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
PubChem CID97256570
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
SMILESCc1nnc(CN(C)[C@@H](CCO)c2ccccc2)s1
InChIInChI=1S/C14H19N3OS/c1-11-15-16-14(19-11)10-17(2)13(8-9-18)12-6-4-3-5-7-12/h3-7,13,18H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyBOPAOMXHCXGZIB-ZDUSSCGKSA-N
XLogP2.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
CID 110009129
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519445
(3S)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519444
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol
CID 111489135
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489104
2-(4-fluorophenyl)-2-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]acetic acid
CID 136552415
3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 111489158
3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489168
3-[methyl-[(2-nitrophenyl)methyl]amino]-3-phenylpropan-1-ol
CID 111489282
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine
CID 118792144

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The IUPAC name of (3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol (CID 97256570) is (3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The canonical SMILES for (3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol is Cc1nnc(CN(C)[C@@H](CCO)c2ccccc2)s1.
What is the InChIKey of (3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The InChIKey is BOPAOMXHCXGZIB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-15-16-14(19-11)10-17(2)13(8-9-18)12-6-4-3-5-7-12/h3-7,13,18H,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol?
(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol has a molecular weight of 277.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 97256570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).