N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine

C10H17N3S — CID 115453865

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1CNCC1(CN)CC1
InChIInChI=1S/C10H17N3S/c1-8-9(14-7-13-8)4-12-6-10(5-11)2-3-10/h7,12H,2-6,11H2,1H3
InChIKeyGFIZHNMSHGGMFB-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.28
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 115453865) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID115453865
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1CNCC1(CN)CC1
InChIInChI=1S/C10H17N3S/c1-8-9(14-7-13-8)4-12-6-10(5-11)2-3-10/h7,12H,2-6,11H2,1H3
InChIKeyGFIZHNMSHGGMFB-UHFFFAOYSA-N
XLogP1.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115684518
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
CID 115654346
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 107267251
2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 82767770
N-[(3-methylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63283666
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine
CID 79206994
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
2-ethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 79814122
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine
CID 66378687

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 115453865) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine is Cc1ncsc1CNCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is GFIZHNMSHGGMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-9(14-7-13-8)4-12-6-10(5-11)2-3-10/h7,12H,2-6,11H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.28, 5 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-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 115453865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).