4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine

C10H19N3S — CID 83886105

IUPAC4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)N(C)c1nc(CCCN)cs1
InChIInChI=1S/C10H19N3S/c1-8(2)13(3)10-12-9(7-14-10)5-4-6-11/h7-8H,4-6,11H2,1-3H3
InChIKeyMCBIPTCISJMNCQ-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.88
Rot. Bonds5

About 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine

4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 83886105) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID83886105
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)N(C)c1nc(CCCN)cs1
InChIInChI=1S/C10H19N3S/c1-8(2)13(3)10-12-9(7-14-10)5-4-6-11/h7-8H,4-6,11H2,1-3H3
InChIKeyMCBIPTCISJMNCQ-UHFFFAOYSA-N
XLogP1.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 15017654
2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde
CID 83880353
2-N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 114275869
ethyl 3-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486363
ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 80567825
3-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487480
3-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103488756
methyl 3-[2-[methyl(2-methylpropyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040003
ethyl 3-[2-[methyl(2-methylbutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486175
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
CID 112501302
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140
N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 60870998

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 83886105) is 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)N(C)c1nc(CCCN)cs1.
What is the InChIKey of 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is MCBIPTCISJMNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)13(3)10-12-9(7-14-10)5-4-6-11/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 83886105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).