5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine

C13H23N3S — CID 79395615

IUPAC5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(C(C)C)c(CN)s1)C1CC1
InChIInChI=1S/C13H23N3S/c1-4-7-16(10-5-6-10)13-15-12(9(2)3)11(8-14)17-13/h9-10H,4-8,14H2,1-3H3
InChIKeyCEVZCNNGBQAXDF-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.10
Rot. Bonds6

About 5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine (PubChem CID 79395615) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine
PubChem CID79395615
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(C(C)C)c(CN)s1)C1CC1
InChIInChI=1S/C13H23N3S/c1-4-7-16(10-5-6-10)13-15-12(9(2)3)11(8-14)17-13/h9-10H,4-8,14H2,1-3H3
InChIKeyCEVZCNNGBQAXDF-UHFFFAOYSA-N
XLogP3.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62768827
5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine
CID 62768652
5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396354
5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine
CID 62767526
N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392932
5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79396248
5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393376
[2-[cyclohexyl(ethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392778
N-cyclopropyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393524
2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191924
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-methyl-N-propyl-1,3-thiazol-2-amine
CID 62769172
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 55117506

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine (CID 79395615) is 5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(C(C)C)c(CN)s1)C1CC1.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is CEVZCNNGBQAXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-7-16(10-5-6-10)13-15-12(9(2)3)11(8-14)17-13/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79395615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).