4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole

C12H19N3S — CID 64949220

IUPAC4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
SMILESc1nc(CN2CCCNC(C3CC3)C2)cs1
InChIInChI=1S/C12H19N3S/c1-4-13-12(10-2-3-10)7-15(5-1)6-11-8-16-9-14-11/h8-10,12-13H,1-7H2
InChIKeySBMUJNIKYIPTPI-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.72
Rot. Bonds3

About 4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole

4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole (PubChem CID 64949220) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
PubChem CID64949220
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
SMILESc1nc(CN2CCCNC(C3CC3)C2)cs1
InChIInChI=1S/C12H19N3S/c1-4-13-12(10-2-3-10)7-15(5-1)6-11-8-16-9-14-11/h8-10,12-13H,1-7H2
InChIKeySBMUJNIKYIPTPI-UHFFFAOYSA-N
XLogP1.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-3-cyclopropyl-1,4-diazepane
CID 64869938
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870330
3-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-1,4-diazepane
CID 64870919
4-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 64950407
4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043577
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole
CID 66194828
1-[(5-bromo-3-pyridinyl)methyl]-3-cyclopropyl-1,4-diazepane
CID 113456021
3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole
CID 106408595
5-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
CID 64950734
3-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-1,4-diazepane
CID 64869739
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63830989
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole (CID 64949220) is 4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole is c1nc(CN2CCCNC(C3CC3)C2)cs1.
What is the InChIKey of 4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole?
The InChIKey is SBMUJNIKYIPTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-4-13-12(10-2-3-10)7-15(5-1)6-11-8-16-9-14-11/h8-10,12-13H,1-7H2.
What are the key properties of 4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole?
4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 64949220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).