N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine

C8H13N3S — CID 115457087

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine
SMILESNCC1(CNc2nccs2)CC1
InChIInChI=1S/C8H13N3S/c9-5-8(1-2-8)6-11-7-10-3-4-12-7/h3-4H,1-2,5-6,9H2,(H,10,11)
InChIKeyFSVLITURYDTAJV-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.29
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine (PubChem CID 115457087) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine
PubChem CID115457087
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine
SMILESNCC1(CNc2nccs2)CC1
InChIInChI=1S/C8H13N3S/c9-5-8(1-2-8)6-11-7-10-3-4-12-7/h3-4H,1-2,5-6,9H2,(H,10,11)
InChIKeyFSVLITURYDTAJV-UHFFFAOYSA-N
XLogP1.29
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine
CID 103970472
N-[(1-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 107143585
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
CID 103970418
1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol
CID 138023128
1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
CID 115443706
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
CID 115456994
N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 103970460
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 115442731
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
CID 59694819
CID 59694819
4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 22185327
2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 106251724

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine (CID 115457087) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine is NCC1(CNc2nccs2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is FSVLITURYDTAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-5-8(1-2-8)6-11-7-10-3-4-12-7/h3-4H,1-2,5-6,9H2,(H,10,11).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 183.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115457087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).