N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine

C14H25N3S — CID 63836693

IUPACN-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine
SMILESCc1ncsc1CN(C)CCCCCNC1CC1
InChIInChI=1S/C14H25N3S/c1-12-14(18-11-16-12)10-17(2)9-5-3-4-8-15-13-6-7-13/h11,13,15H,3-10H2,1-2H3
InChIKeyVYONZUOBLUMVLO-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.81
Rot. Bonds9

About N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine

N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine (PubChem CID 63836693) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine
PubChem CID63836693
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine
SMILESCc1ncsc1CN(C)CCCCCNC1CC1
InChIInChI=1S/C14H25N3S/c1-12-14(18-11-16-12)10-17(2)9-5-3-4-8-15-13-6-7-13/h11,13,15H,3-10H2,1-2H3
InChIKeyVYONZUOBLUMVLO-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63837383
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine
CID 63838967
N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63838282
N-cyclopropyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 62427015
4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
CID 114763344
N-cyclopropyl-N',2-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 63838775
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 55261344
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile
CID 55259281
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-[[4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63837546
N'-methyl-N-(3-methylbutan-2-yl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63840712
N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025346

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine (CID 63836693) is N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine is Cc1ncsc1CN(C)CCCCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine?
The InChIKey is VYONZUOBLUMVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-12-14(18-11-16-12)10-17(2)9-5-3-4-8-15-13-6-7-13/h11,13,15H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine?
N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine has a molecular weight of 267.44 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine is sourced from PubChem (CID 63836693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).