3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine

C14H27N3S — CID 79408549

IUPAC3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine
SMILESCc1ncsc1CN(C)C(C)C(C)CNC(C)C
InChIInChI=1S/C14H27N3S/c1-10(2)15-7-11(3)13(5)17(6)8-14-12(4)16-9-18-14/h9-11,13,15H,7-8H2,1-6H3
InChIKeyQCGZUAOWLUJASA-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.91
Rot. Bonds7

About 3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine

3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 79408549) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID79408549
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine
SMILESCc1ncsc1CN(C)C(C)C(C)CNC(C)C
InChIInChI=1S/C14H27N3S/c1-10(2)15-7-11(3)13(5)17(6)8-14-12(4)16-9-18-14/h9-11,13,15H,7-8H2,1-6H3
InChIKeyQCGZUAOWLUJASA-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine 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

2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 63837536
2-methyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanoic acid
CID 79413835
N-[[4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63838273
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile
CID 63821064
(2S)-1-ethylsulfanyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 97160188
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 81005573
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide
CID 63840300
N'-methyl-N-(3-methylbutan-2-yl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63840712
2-(butan-2-ylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63836373
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine
CID 63843483
N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63838282
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63822516

Frequently Asked Questions

What is the IUPAC name of 3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine (CID 79408549) is 3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine is Cc1ncsc1CN(C)C(C)C(C)CNC(C)C.
What is the InChIKey of 3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is QCGZUAOWLUJASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-10(2)15-7-11(3)13(5)17(6)8-14-12(4)16-9-18-14/h9-11,13,15H,7-8H2,1-6H3.
What are the key properties of 3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine?
3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 269.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 79408549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).