N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine

C14H25N3S — CID 81005573

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
SMILESCc1ncsc1CN(C)C1CCC1CNC(C)C
InChIInChI=1S/C14H25N3S/c1-10(2)15-7-12-5-6-13(12)17(4)8-14-11(3)16-9-18-14/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyVSZNAOFCDUBYDQ-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.66
Rot. Bonds6

About N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine (PubChem CID 81005573) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
PubChem CID81005573
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
SMILESCc1ncsc1CN(C)C1CCC1CNC(C)C
InChIInChI=1S/C14H25N3S/c1-10(2)15-7-12-5-6-13(12)17(4)8-14-11(3)16-9-18-14/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyVSZNAOFCDUBYDQ-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine with MolForge

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Related Compounds

N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 81004725
N-[[4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63838273
N-methyl-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999324
3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine
CID 79408549
2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 63837536
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 82760579
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine
CID 63836858
1-cyclobutyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115717718
N-cyclopropyl-N',2-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 63838775
4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
CID 114763344
N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996992

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine (CID 81005573) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine is Cc1ncsc1CN(C)C1CCC1CNC(C)C.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The InChIKey is VSZNAOFCDUBYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)15-7-12-5-6-13(12)17(4)8-14-11(3)16-9-18-14/h9-10,12-13,15H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81005573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).